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2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide
SpectraBase Compound ID CiWJHvM0wJp
InChI InChI=1S/C19H21Cl2N5O3S/c1-4-5-9-26-15-16(24(2)19(29)25(3)17(15)28)23-18(26)30-10-13(27)22-12-8-6-7-11(20)14(12)21/h6-8H,4-5,9-10H2,1-3H3,(H,22,27)
InChIKey MXUOMCRNWUOXCX-UHFFFAOYSA-N
Mol Weight 470.38 g/mol
Molecular Formula C19H21Cl2N5O3S
Exact Mass 469.074216 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ATQgWcayY7i
Name 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C19H21Cl2N5O3S/c1-4-5-9-26-15-16(24(2)19(29)25(3)17(15)28)23-18(26)30-10-13(27)22-12-8-6-7-11(20)14(12)21/h6-8H,4-5,9-10H2,1-3H3,(H,22,27)
InChIKey MXUOMCRNWUOXCX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6109
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11242335; Labnumber: SAD-0002983; IOH_ID: IOH-006110